(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone

C11H19NO — CID 88971948

IUPAC(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
SMILESN[C@H](C(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C11H19NO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h8-10H,1-7,12H2/t10-/m0/s1
InChIKeyLGWZNDVSUKMJKK-JTQLQIEISA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds3

About (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone

(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone (PubChem CID 88971948) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
PubChem CID88971948
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone
SMILESN[C@H](C(=O)C1CC1)C1CCCCC1
InChIInChI=1S/C11H19NO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h8-10H,1-7,12H2/t10-/m0/s1
InChIKeyLGWZNDVSUKMJKK-JTQLQIEISA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone (CID 88971948) is (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone is N[C@H](C(=O)C1CC1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone?
The InChIKey is LGWZNDVSUKMJKK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO/c12-10(11(13)9-6-7-9)8-4-2-1-3-5-8/h8-10H,1-7,12H2/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone?
(2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone has a molecular weight of 181.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-cyclopropylethanone is sourced from PubChem (CID 88971948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).